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2-Butenal, 2-methyl-4-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Butenal, 2-methyl-4-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-
SpectraBase Compound ID KX24IdM4yvC
InChI InChI=1S/C14H12O4/c1-10(9-15)6-7-17-12-4-2-11-3-5-14(16)18-13(11)8-12/h2-6,8-9H,7H2,1H3/b10-6+
InChIKey BOEYBMJEVSXRSZ-UXBLZVDNSA-N
Mol Weight 244.25 g/mol
Molecular Formula C14H12O4
Exact Mass 244.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jr8lyn7K3Qa
Name 2-Butenal, 2-methyl-4-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.073558862 u
Formula C14H12O4
InChI InChI=1S/C14H12O4/c1-10(9-15)6-7-17-12-4-2-11-3-5-14(16)18-13(11)8-12/h2-6,8-9H,7H2,1H3/b10-6+
InChIKey BOEYBMJEVSXRSZ-UXBLZVDNSA-N
Molecular Weight 244.246 g/mol
SMILES C\C(C=O)=C/COC1=CC2=C(C=CC(=O)O2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936864